1-[2-(2-fluorophenyl)sulfinylethyl]pyrazole

C11H11FN2OS — CID 63791757

IUPAC1-[2-(2-fluorophenyl)sulfinylethyl]pyrazole
SMILESO=S(CCn1cccn1)c1ccccc1F
InChIInChI=1S/C11H11FN2OS/c12-10-4-1-2-5-11(10)16(15)9-8-14-7-3-6-13-14/h1-7H,8-9H2
InChIKeyUYNVFOANZOWWDQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.83
Rot. Bonds4

About 1-[2-(2-fluorophenyl)sulfinylethyl]pyrazole

1-[2-(2-fluorophenyl)sulfinylethyl]pyrazole (PubChem CID 63791757) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)sulfinylethyl]pyrazole.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)sulfinylethyl]pyrazole
PubChem CID63791757
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name1-[2-(2-fluorophenyl)sulfinylethyl]pyrazole
SMILESO=S(CCn1cccn1)c1ccccc1F
InChIInChI=1S/C11H11FN2OS/c12-10-4-1-2-5-11(10)16(15)9-8-14-7-3-6-13-14/h1-7H,8-9H2
InChIKeyUYNVFOANZOWWDQ-UHFFFAOYSA-N
XLogP1.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)sulfinylethyl]pyrazole?
The IUPAC name of 1-[2-(2-fluorophenyl)sulfinylethyl]pyrazole (CID 63791757) is 1-[2-(2-fluorophenyl)sulfinylethyl]pyrazole.
What is the SMILES notation for 1-[2-(2-fluorophenyl)sulfinylethyl]pyrazole?
The canonical SMILES for 1-[2-(2-fluorophenyl)sulfinylethyl]pyrazole is O=S(CCn1cccn1)c1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenyl)sulfinylethyl]pyrazole?
The InChIKey is UYNVFOANZOWWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c12-10-4-1-2-5-11(10)16(15)9-8-14-7-3-6-13-14/h1-7H,8-9H2.
What are the key properties of 1-[2-(2-fluorophenyl)sulfinylethyl]pyrazole?
1-[2-(2-fluorophenyl)sulfinylethyl]pyrazole has a molecular weight of 238.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)sulfinylethyl]pyrazole is sourced from PubChem (CID 63791757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).